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KH-3

CAT: 0013-GTR19186206-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186206-03Size:100 mg
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Description
KH-3 is a small molecule HuR inhibitor with an IC50 of 0.35 μM. It disrupts HuR-FOXQ1 mRNA binding, demonstrating anti-proliferative and anti-invasive effects in breast cancer cell models and reducing metastatic lung colony formation in vivo.
CAS Number
1215115-03-9
Field of Research
Epigenetics & Chromatin
Smiles
C (=C/C (NO) =O) \C1=CC=2C (S1) =CC=C (NS (=O) (=O) C3=CC=C (C (C) (C) C) C=C3) C2
Molecular Formula
C21H22N2O4S2
Molecular Weight
430.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2E)-3-[5-(4-tert-butylbenzenesulfonamido)-1-benzothiophen-2-yl]-N-hydroxyprop-2-enamide
CAS Number1215115-03-9
PubChem CID45138018
IUPAC Name(E)-3-[5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophen-2-yl]-N-hydroxyprop-2-enamide
Molecular FormulaC21H22N2O4S2
Molecular Weight430.5
XLogP4.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity703
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)/C=C/C(=O)NO
InChI
InChI=1S/C21H22N2O4S2/c1-21(2,3)15-4-8-18(9-5-15)29(26,27)23-16-6-10-19-14(12-16)13-17(28-19)7-11-20(24)22-25/h4-13,23,25H,1-3H3,(H,22,24)/b11-7+
InChIKey
RIYPLPNXICDUCS-YRNVUSSQSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-[5-(4-tert-butylbenzenesulfonamido)-1-benzothiophen-2-yl]-N-hydroxyprop-2-enamide
CAS: 1215115-03-9
CID: 45138018
Formula: C21H22N2O4S2
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass430.10209953
Monoisotopic Mass430.10209953
Topological Polar Surface Area132 Ų
Heavy Atom Count29
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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